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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50418020'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418020
PNG
(CHEMBL1682266)
Show SMILES NC(=O)CNC(=O)[C@@H]1CCCN1Cc1nc(ns1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12 |r|
Show InChI InChI=1S/C24H29ClN6O3S/c25-18-4-1-3-16-17(13-31(22(16)18)12-15-6-9-34-10-7-15)23-28-21(35-29-23)14-30-8-2-5-19(30)24(33)27-11-20(26)32/h1,3-4,13,15,19H,2,5-12,14H2,(H2,26,32)(H,27,33)/t19-/m0/s1
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Similars

Article
PubMed
n/an/an/an/a 398n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 1748-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG
More data for this
Ligand-Target Pair